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Phthalic acid, 2-(pentafluorophenoxy)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(pentafluorophenoxy)ethyl pentyl ester
SpectraBase Compound ID GJ2CvQ26XQ3
InChI InChI=1S/C21H19F5O5/c1-2-3-6-9-30-20(27)12-7-4-5-8-13(12)21(28)31-11-10-29-19-17(25)15(23)14(22)16(24)18(19)26/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey CZZSCWOJMJQRNU-UHFFFAOYSA-N
Mol Weight 446.37 g/mol
Molecular Formula C21H19F5O5
Exact Mass 446.115265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nwguNRuVbO
Name Phthalic acid, 2-(pentafluorophenoxy)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.115264522 u
Formula C21H19F5O5
InChI InChI=1S/C21H19F5O5/c1-2-3-6-9-30-20(27)12-7-4-5-8-13(12)21(28)31-11-10-29-19-17(25)15(23)14(22)16(24)18(19)26/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey CZZSCWOJMJQRNU-UHFFFAOYSA-N
Molecular Weight 446.370 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCC)=O